3-ethoxyspiro[3.3]heptan-1-ol

• ChemBase ID: 239210
• Molecular Formular: C9H16O2
• Molecular Mass: 156.22214
• Monoisotopic Mass: 156.11502975
• SMILES: C12(C(CC1OCC)O)CCC2
• Canonical SMILES: CCOC1CC(C21CCC2)O
• InChI: InChI=1S/C9H16O2/c1-2-11-8-6-7(10)9(8)4-3-5-9/h7-8,10H,2-6H2,1H3
• InChIKey: VPFKPALWFRIUKE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-ethoxyspiro[3.3]heptan-1-ol
• IUPAC Traditional name: 3-ethoxyspiro[3.3]heptan-1-ol
• Synonyms: 3-ethoxyspiro[3.3]heptan-1-ol

Database IDs

• MDL Number: MFCD21106865
• PubChem SID: 164295120
• PubChem CID: 64568593

CALCULATED PROPERTIES

• Acid pKa: 14.686235
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.81170195
• LogD (pH = 7.4): 0.81170195
• Log P: 0.81170195
• Molar Refractivity: 42.7137 cm^3
• Polarizability: 17.163912 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.424

Product Information

• Purity: 95%